ChemSpider 2D Image | 5-(5-{[4-(2-Chlorophenyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-N,N-diethyl-2-pyridinamine | C22H27ClN6O

5-(5-{[4-(2-Chlorophenyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-N,N-diethyl-2-pyridinamine

  • Molecular FormulaC22H27ClN6O
  • Average mass426.942 Da
  • Monoisotopic mass426.193481 Da
  • ChemSpider ID26319506

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Pyridinamine, 5-[5-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethyl- [ACD/Index Name]
5-(5-{[4-(2-Chlorophenyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-N,N-diethyl-2-pyridinamine [ACD/IUPAC Name]
5-(5-{[4-(2-Chlorophényl)-1-pipérazinyl]méthyl}-1,2,4-oxadiazol-3-yl)-N,N-diéthyl-2-pyridinamine [French] [ACD/IUPAC Name]
5-(5-{[4-(2-Chlorphenyl)-1-piperazinyl]methyl}-1,2,4-oxadiazol-3-yl)-N,N-diethyl-2-pyridinamin [German] [ACD/IUPAC Name]
1251618-59-3 [RN]
5-(5-((4-(2-chlorophenyl)piperazin-1-yl)methyl)-1,2,4-oxadiazol-3-yl)-N,N-diethylpyridin-2-amine
5-(5-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)-N,N-diethylpyridin-2-amine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 592.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.1±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 825.24
ACD/KOC (pH 5.5): 3647.13
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1411.53
ACD/KOC (pH 7.4): 6238.22
Polar Surface Area: 62 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 341.8±3.0 cm3

Click to predict properties on the Chemicalize site


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